4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

C27H26N4O2 — CID 10225141

IUPAC4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESc1ccc2cc(Cc3noc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)ccc2c1
InChIInChI=1S/C27H26N4O2/c1-2-6-22-17-20(9-10-21(22)5-1)18-26-28-27(33-29-26)24-19-31(25-8-4-3-7-23(24)25)12-11-30-13-15-32-16-14-30/h1-10,17,19H,11-16,18H2
InChIKeyMPDNPCZLXDASSF-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.77
Rot. Bonds6

About 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine

4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (PubChem CID 10225141) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
PubChem CID10225141
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
SMILESc1ccc2cc(Cc3noc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)ccc2c1
InChIInChI=1S/C27H26N4O2/c1-2-6-22-17-20(9-10-21(22)5-1)18-26-28-27(33-29-26)24-19-31(25-8-4-3-7-23(24)25)12-11-30-13-15-32-16-14-30/h1-10,17,19H,11-16,18H2
InChIKeyMPDNPCZLXDASSF-UHFFFAOYSA-N
XLogP4.77
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine with MolForge

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Related Compounds

4-(Naphthalen-1-Yl)-1-[(5-Phenyl-1,2,4-Oxadiazol-3-Yl)methyl]-1h-Pyrrolo[3,2-C]pyridine-2-Carboxylic Acid
CID 74627729
4-(2-(3-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)-ethyl)morpholine
CID 10156261
3-(1-Azabicyclo[2.2.2]octan-3-yl)-5-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 14810899
3-Benzyl-5-(1-pentyl-1H-indol-3-yl)-1,2,4-oxadiazole
CID 9924288
4-(2-(3-(3-(4-Methoxybenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10158990
3-Benzyl-5-1-(2-(piperidine-1-yl)ethyl)-1H-indol-3-yl)-1,2,4-oxadiazole
CID 10200181
4-(2-(3-(3-(Thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10200677
3-[3-Benzyl-[1,2,4]oxadiazol-5-yl]-1-(2-morpholin-4-yl-ethyl)-1H-indole
CID 10271599
4-(2-(3-(3-Phenethyl-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 10294538
4-(2-(3-(3-(4-Bromobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339933
4-(2-(3-(3-(2-Chlorobenzyl)-1,2,4-oxadiazol-5-yl)-1H-indol-1-yl)ethyl)morpholine
CID 22339945
4-[2-[3-[3-(4-Phenylphenyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine
CID 10114846

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine (CID 10225141) is 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is c1ccc2cc(Cc3noc(-c4cn(CCN5CCOCC5)c5ccccc45)n3)ccc2c1.
What is the InChIKey of 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
The InChIKey is MPDNPCZLXDASSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-6-22-17-20(9-10-21(22)5-1)18-26-28-27(33-29-26)24-19-31(25-8-4-3-7-23(24)25)12-11-30-13-15-32-16-14-30/h1-10,17,19H,11-16,18H2.
What are the key properties of 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine?
4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine has a molecular weight of 438.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]indol-1-yl]ethyl]morpholine is sourced from PubChem (CID 10225141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).